| CAS Number | 85843-13-6 |
| Catalog Number | AG019NT4(AGN-PC-00VC6J) |
| Chemical Name | 1-{4-hydroxy-3-[(piperidin-1-yl)methyl]phenyl}ethan-1-one hydrochloride |
| IUPAC Name | 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C14H19NO2.ClH/c1-11(16)12-5-6-14(17)13(9-12)10-15-7-3-2-4-8-15;/h5-6,9,17H,2-4,7-8,10H2,1H3;1H |
| InChI Key | GHVPSTYNGZWQPJ-UHFFFAOYSA-N |
| MDL Number | MFCD07290462 |
| Molecular Formula | C14H20ClNO2 |
| Molecular Weight | 269.7671 |
| SMILES | Cl.CC(C1=CC(CN2CCCCC2)=C(O)C=C1)=O |
| Synonyms | 1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethan-1-one hydrochloride,
85843-13-6,
1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethanone hydrochloride,
92500-17-9,
AC1Q38XX,
CTK8F3081,
MCULE-5418236553,
NE34960,
EN300-11722,
Z57989133,
1-{4-hydroxy-3-[(piperidin-1-yl)methyl]phenyl}ethan-1-one hydrochloride,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.769g/mol |
| Monoisotopic Mass | 269.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number